acetic acid;(3R)-5-ethenylidenenonan-3-ol

C13H24O3 — CID 71419852

IUPACacetic acid;(3R)-5-ethenylidenenonan-3-ol
SMILESC=C=C(CCCC)C[C@H](O)CC.CC(=O)O
InChIInChI=1S/C11H20O.C2H4O2/c1-4-7-8-10(5-2)9-11(12)6-3;1-2(3)4/h11-12H,2,4,6-9H2,1,3H3;1H3,(H,3,4)/t11-;/m1./s1
InChIKeyTXAITAKIVHQTDF-RFVHGSKJSA-N
MW228.33 g/mol
LogP3.14
Rot. Bonds6

About acetic acid;(3R)-5-ethenylidenenonan-3-ol

acetic acid;(3R)-5-ethenylidenenonan-3-ol (PubChem CID 71419852) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is acetic acid;(3R)-5-ethenylidenenonan-3-ol.

Molecular Properties

Compound Nameacetic acid;(3R)-5-ethenylidenenonan-3-ol
PubChem CID71419852
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Nameacetic acid;(3R)-5-ethenylidenenonan-3-ol
SMILESC=C=C(CCCC)C[C@H](O)CC.CC(=O)O
InChIInChI=1S/C11H20O.C2H4O2/c1-4-7-8-10(5-2)9-11(12)6-3;1-2(3)4/h11-12H,2,4,6-9H2,1,3H3;1H3,(H,3,4)/t11-;/m1./s1
InChIKeyTXAITAKIVHQTDF-RFVHGSKJSA-N
XLogP3.14
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-5-ethenylidenenonan-3-ol
CID 71419853
2-(2-ethenylidenehexyl)propanedioic acid
CID 174816589
acetic acid;(2R)-4-(2-methylprop-1-enylidene)octan-2-ol
CID 71419804
3-hydroxypentanoic acid;propa-1,2-diene
CID 174838105
3-ethenylidene-2-ethylheptanoic acid
CID 86080137
3-ethenylideneoctanoic acid
CID 174833719
2-ethenylidenehexan-1-ol
CID 14968812
3-(bromomethyl)hepta-1,2-diene
CID 23270419
acetic acid;nonan-5-ol
CID 53445479
[(3R)-4-ethenylideneoctan-3-yl] acetate
CID 101219632
acetic acid;pentanoic acid
CID 87061456
acetic acid;butane-1,2-diol
CID 71357816

Frequently Asked Questions

What is the IUPAC name of acetic acid;(3R)-5-ethenylidenenonan-3-ol?
The IUPAC name of acetic acid;(3R)-5-ethenylidenenonan-3-ol (CID 71419852) is acetic acid;(3R)-5-ethenylidenenonan-3-ol.
What is the SMILES notation for acetic acid;(3R)-5-ethenylidenenonan-3-ol?
The canonical SMILES for acetic acid;(3R)-5-ethenylidenenonan-3-ol is C=C=C(CCCC)C[C@H](O)CC.CC(=O)O.
What is the InChIKey of acetic acid;(3R)-5-ethenylidenenonan-3-ol?
The InChIKey is TXAITAKIVHQTDF-RFVHGSKJSA-N. The full InChI is InChI=1S/C11H20O.C2H4O2/c1-4-7-8-10(5-2)9-11(12)6-3;1-2(3)4/h11-12H,2,4,6-9H2,1,3H3;1H3,(H,3,4)/t11-;/m1./s1.
What are the key properties of acetic acid;(3R)-5-ethenylidenenonan-3-ol?
acetic acid;(3R)-5-ethenylidenenonan-3-ol has a molecular weight of 228.33 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(3R)-5-ethenylidenenonan-3-ol is sourced from PubChem (CID 71419852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).